C151-0774 Screening compound: (2E,6E)-2,6-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-methylcyclohexan-1-one

C151-0774 Screening compound: (2E,6E)-2,6-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-methylcyclohexan-1-one
C151-0774 Screening compound: (2E,6E)-2,6-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-methylcyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0774
(2E,6E)-2,6-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-methylcyclohexan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C151-0774

Molecular Formula

C35H40N4O3 (C35 H40 N4 O3)

Compound Name

(2E,6E)-2,6-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-methylcyclohexan-1-one

IUPAC name

(2E6E)-26-bis({3-[(35-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-4-methylcyclohexan-1-one

SMILES

CC(C/C(/C1=O)=C\c(cc2)cc(Cn3nc(C)cc3C)c2OC)C/C1=C\c(cc1)cc(Cn2nc(C)cc2C)c1OC

InChI

InChI=1S/C35H40N4O3/c1-22-12-29(16-27-8-10-33(41-6)31(18-27)20-38-25(4)14-23(2)36-38)35(40)30(13-22)17-28-9-11-34(42-7)32(19-28)21-39-26(5)15-24(3)37-39/h8-11,14-19,22H,12-13,20-21H2,1-7H3

InChI Key

OOVWKBZIRUSPSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

5.367

Water Solubility, LogSw

-5.49

Polar Surface Area

55.766

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.30

C151-0774 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C151-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0774?
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What is the minimum amount of C151-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0774
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C151-0774 available by request